Publications

18 results at ACS Fall 2025

Scientific research with AI co-participation in chemistry: Prompt engineering and AI ethical challenges in the scientific discovery process
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2025
- ACS Fall 2025
Dynamic Multimodal Fusion for Robust Molecular Representation Learning
- - Indra Priyadarsini S
  - Seiji Takeda
  - et al.
- 2025
- ACS Fall 2025
AI, Physics-Based Models, and the Complex and Complicated Nature of Drug Design
- - Wendy Cornell
- 2025
- ACS Fall 2025
AI-driven prediction of monoclonal antibody binding and activity against influenza A virus
- - Michal Ozery-Flato
  - Ella Barkan
  - et al.
- 2025
- ACS Fall 2025
Reducing the quantum resource requirements for simulating molecules: Generalized entanglement forging
- - Tanvi Gujarati
  - Ieva Liepuoniute
  - et al.
- 2025
- ACS Fall 2025
Improved sample-based quantum diagonalization via randomized Hamiltonian simulation
- - Max Rossmannek
  - Samuele Piccinelli
- 2025
- ACS Fall 2025
Vibrational analysis of gas adsorption in metal-organic frameworks
- - Pamela Costa Carvalho
  - Matheus Esteves Ferreira
  - et al.
- 2025
- ACS Fall 2025
Hybrid quantum-classical simulation of periodic materials
- - Rodrigo Neumann Barros Ferreira
  - Alan Duriez
  - et al.
- 2025
- ACS Fall 2025
Pan-Target Generation and Validation of Antibody Sequences Driven by an Iterative, Multimodal Foundation Model AI Approach
- - Jeff Weber
- 2025
- ACS Fall 2025
How to generalize machine learning models to both canonical and non-canonical peptides
- - Raúl Fernández Díaz
  - Rodrigo Ochoa
  - et al.
- 2025
- ACS Fall 2025